CID 11820851

Benzaldehyde, 4-[2-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridazinyl]-4-piperidinyl]ethoxy]-, o-ethyloxime

Structural Information

Molecular Formula
C22H27F3N4O3
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)OCC(F)(F)F
InChI
InChI=1S/C22H27F3N4O3/c1-2-32-26-15-18-3-5-19(6-4-18)30-14-11-17-9-12-29(13-10-17)20-7-8-21(28-27-20)31-16-22(23,24)25/h3-8,15,17H,2,9-14,16H2,1H3/b26-15+
InChIKey
VSCNWVSMNUZXNC-CVKSISIWSA-N
Compound name
(E)-N-ethoxy-1-[4-[2-[1-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]piperidin-4-yl]ethoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.20352 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.21080 209.5
[M+Na]+ 475.19274 213.4
[M-H]- 451.19624 210.8
[M+NH4]+ 470.23734 213.6
[M+K]+ 491.16668 207.9
[M+H-H2O]+ 435.20078 193.5
[M+HCOO]- 497.20172 222.1
[M+CH3COO]- 511.21737 234.0
[M+Na-2H]- 473.17819 210.7
[M]+ 452.20297 207.4
[M]- 452.20407 207.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.